5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione

C9H10N6S — CID 7825141

IUPAC5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESC/C(=N\Nc1nc(=S)[nH][nH]1)c1ccccn1
InChIInChI=1S/C9H10N6S/c1-6(7-4-2-3-5-10-7)12-13-8-11-9(16)15-14-8/h2-5H,1H3,(H3,11,13,14,15,16)/b12-6+
InChIKeyLYBVRFYONQSMIZ-WUXMJOGZSA-N
MW234.29 g/mol
LogP1.70
Rot. Bonds3

About 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione

5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 7825141) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID7825141
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESC/C(=N\Nc1nc(=S)[nH][nH]1)c1ccccn1
InChIInChI=1S/C9H10N6S/c1-6(7-4-2-3-5-10-7)12-13-8-11-9(16)15-14-8/h2-5H,1H3,(H3,11,13,14,15,16)/b12-6+
InChIKeyLYBVRFYONQSMIZ-WUXMJOGZSA-N
XLogP1.70
TPSA81.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
N-[(E)-1-pyridin-2-ylethylideneamino]-3-(pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 7914135
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
N-(1-pyridin-2-ylethylideneamino)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 3810523
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
CID 7350198
N-[(Z)-1-pyridin-2-ylethylideneamino]azocane-1-carbothioamide
CID 6810515

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione (CID 7825141) is 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione is C/C(=N\Nc1nc(=S)[nH][nH]1)c1ccccn1.
What is the InChIKey of 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is LYBVRFYONQSMIZ-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H10N6S/c1-6(7-4-2-3-5-10-7)12-13-8-11-9(16)15-14-8/h2-5H,1H3,(H3,11,13,14,15,16)/b12-6+.
What are the key properties of 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 234.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 7825141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).